4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde

C18H20N4O2 — CID 88772086

IUPAC4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc3c(c(Oc4ccccc4)n2)CCC3)CC1
InChIInChI=1S/C18H20N4O2/c23-13-21-9-11-22(12-10-21)18-19-16-8-4-7-15(16)17(20-18)24-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2
InChIKeyHKFZFAOYBNGHLG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.04
Rot. Bonds4

About 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde

4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde (PubChem CID 88772086) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde
PubChem CID88772086
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc3c(c(Oc4ccccc4)n2)CCC3)CC1
InChIInChI=1S/C18H20N4O2/c23-13-21-9-11-22(12-10-21)18-19-16-8-4-7-15(16)17(20-18)24-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2
InChIKeyHKFZFAOYBNGHLG-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde (CID 88772086) is 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2nc3c(c(Oc4ccccc4)n2)CCC3)CC1.
What is the InChIKey of 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is HKFZFAOYBNGHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-13-21-9-11-22(12-10-21)18-19-16-8-4-7-15(16)17(20-18)24-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2.
What are the key properties of 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 324.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 88772086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).